4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one

C16H15N3OS — CID 135520015

IUPAC4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(CSc2nc(C)cc(=O)[nH]2)c2ncccc2c1
InChIInChI=1S/C16H15N3OS/c1-10-6-12-4-3-5-17-15(12)13(7-10)9-21-16-18-11(2)8-14(20)19-16/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyXIADMJSUPPIMFA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.23
Rot. Bonds3

About 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135520015) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135520015
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(CSc2nc(C)cc(=O)[nH]2)c2ncccc2c1
InChIInChI=1S/C16H15N3OS/c1-10-6-12-4-3-5-17-15(12)13(7-10)9-21-16-18-11(2)8-14(20)19-16/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyXIADMJSUPPIMFA-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135520015) is 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(CSc2nc(C)cc(=O)[nH]2)c2ncccc2c1.
What is the InChIKey of 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is XIADMJSUPPIMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-6-12-4-3-5-17-15(12)13(7-10)9-21-16-18-11(2)8-14(20)19-16/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 297.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135520015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).